Home Halogens tert-Butyl 3-(chloromethyl)benzoate

tert-Butyl 3-(chloromethyl)benzoate

CAS No.:
220510-74-7
Catalog Number:
AG003UJN
Molecular Formula:
C12H15ClO2
Molecular Weight:
226.6993
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$50
- +
5g
98%
In Stock USA
United States
$134
- +
10g
98%
In Stock USA
United States
$219
- +
25g
98%
In Stock USA
United States
$400
- +
Product Description
Catalog Number:
AG003UJN
Chemical Name:
tert-Butyl 3-(chloromethyl)benzoate
CAS Number:
220510-74-7
Molecular Formula:
C12H15ClO2
Molecular Weight:
226.6993
MDL Number:
MFCD02180879
IUPAC Name:
tert-butyl 3-(chloromethyl)benzoate
InChI:
InChI=1S/C12H15ClO2/c1-12(2,3)15-11(14)10-6-4-5-9(7-10)8-13/h4-7H,8H2,1-3H3
InChI Key:
ZMCMVQWHGXGANS-UHFFFAOYSA-N
SMILES:
ClCc1cccc(c1)C(=O)OC(C)(C)C
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.076g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.7g/mol
Monoisotopic Mass:
226.076g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties